SCHEMBL11025630

SCHEMBL11025630

C=CS(=O)(=O)c1cc(C)c(N)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
TSHR P16473 4/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11671249 0.94 PKM (0.44) PKMPOLBGAAGFERTUBB4A
SCHEMBL4380113 0.87 PKM (0.64) PKMPOLBGAATUBB4ATUBB
SCHEMBL10785254 0.83 PKM (0.54) PKMPOLBGAATUBB4ATUBB
SCHEMBL9233010 0.81 PKM (0.51) PKMPOLBGAAGFERTUBB4A
SCHEMBL7718749 0.81 PKM (0.51) PKMPOLBGAATUBB4ATUBB
SCHEMBL8777836 0.80 PKM (0.73) PKMPOLBGAAGFERTUBB4A
SCHEMBL8777795 0.75 L3MBTL1 (0.53) PKMPOLBGAAGFERSMN1; SMN2
SCHEMBL7717678 0.75 ALDH1A1 (0.44) PKMPOLBGAATSHRSMN1; SMN2
SCHEMBL22256260 0.75 MEN1 (0.53) PKMPOLBGAATSHRSMN1; SMN2
SCHEMBL10346964 0.73 PKM (0.39) PKMGAATSHRSMN1; SMN2GLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0056975-B1 WATER SOLUBLE MONOAZOCOMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-16 EP disclosed
EP-0056975-A2 Water soluble monoazocompounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-04 EP disclosed